5-methyl-N-(2-phenylmethoxyethyl)pyrazine-2-carboxamide

C15H17N3O2 — CID 71865584

IUPAC5-methyl-N-(2-phenylmethoxyethyl)pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCCOCc2ccccc2)cn1
InChIInChI=1S/C15H17N3O2/c1-12-9-18-14(10-17-12)15(19)16-7-8-20-11-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,16,19)
InChIKeyVKPDDRJQTNWYDU-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.73
Rot. Bonds6

About 5-methyl-N-(2-phenylmethoxyethyl)pyrazine-2-carboxamide

5-methyl-N-(2-phenylmethoxyethyl)pyrazine-2-carboxamide (PubChem CID 71865584) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-methyl-N-(2-phenylmethoxyethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-phenylmethoxyethyl)pyrazine-2-carboxamide
PubChem CID71865584
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name5-methyl-N-(2-phenylmethoxyethyl)pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCCOCc2ccccc2)cn1
InChIInChI=1S/C15H17N3O2/c1-12-9-18-14(10-17-12)15(19)16-7-8-20-11-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,16,19)
InChIKeyVKPDDRJQTNWYDU-UHFFFAOYSA-N
XLogP1.73
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide
CID 111102422
N-(3-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide
CID 111471624
5-methyl-N-propylpyrazine-2-carboxamide
CID 60637750
5-methyl-N-[6-[(5-methylpyrazine-2-carbonyl)amino]hexyl]pyrazine-2-carboxamide
CID 4963664
N-[2-(2-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 26181262
N-[(2-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 8870889
5-methyl-N-(2-phenylpropyl)pyrazine-2-carboxamide
CID 18209356
5-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]pyrazine-2-carboxamide
CID 42783473
2-hydroxy-4-[(5-methylpyrazine-2-carbonyl)amino]butanoic acid
CID 107831683
N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrazine-2-carboxamide
CID 94815352
5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81100153
3,5-dinitro-N-(2-phenylmethoxyethyl)benzamide
CID 563554

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-phenylmethoxyethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-(2-phenylmethoxyethyl)pyrazine-2-carboxamide (CID 71865584) is 5-methyl-N-(2-phenylmethoxyethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-phenylmethoxyethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-(2-phenylmethoxyethyl)pyrazine-2-carboxamide is Cc1cnc(C(=O)NCCOCc2ccccc2)cn1.
What is the InChIKey of 5-methyl-N-(2-phenylmethoxyethyl)pyrazine-2-carboxamide?
The InChIKey is VKPDDRJQTNWYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-12-9-18-14(10-17-12)15(19)16-7-8-20-11-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,16,19).
What are the key properties of 5-methyl-N-(2-phenylmethoxyethyl)pyrazine-2-carboxamide?
5-methyl-N-(2-phenylmethoxyethyl)pyrazine-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-phenylmethoxyethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 71865584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).